
 CHEMBL3928096

 62 64  0  0  0  0  0  0  0  0999 V2000
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    3.5871   -2.9533   -6.5844 F   0  0  0  0  0
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    0.0267   -4.0165    4.1680 H   0  0  0  0  0
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    4.3014   -5.8325    1.8065 H   0  0  0  0  0
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    3.6133   -4.6103   -2.9516 H   0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
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  3  4  1  0  0  0
  3 11  1  0  0  0
  4  5  2  0  0  0
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  7 42  1  0  0  0
  8  9  1  0  0  0
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  9 10  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3928096

>  <PubChem CID>
51034684

>  <Formula>
C25H26F6N2O3

>  <Molecular Weight>
516.484000

>  <IUPAC Name>
(3R)-N-[3,5-bis(trifluoromethyl)phenyl]-1-[2-(methoxymethyl)-6-methylphenyl]-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1=C(C(=CC=C1)COC)N2CC(CC2=O)(C(C)C)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)COC)N2C[C@@](CC2=O)(C(C)C)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C25H26F6N2O3/c1-14(2)23(11-20(34)33(13-23)21-15(3)6-5-7-16(21)12-36-4)22(35)32-19-9-17(24(26,27)28)8-18(10-19)25(29,30)31/h5-10,14H,11-13H2,1-4H3,(H,32,35)/t23-/m0/s1

>  <InChI Key>
HWLFTABCSRRLAA-QHCPKHFHSA-N

